D0K3QT AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 2.388 0.438 -1.600 1.00 0.00 N HETATM 2 C UNL 1 2.068 0.078 -2.955 1.00 0.00 C HETATM 3 N UNL 1 2.868 0.399 -4.172 1.00 0.00 N HETATM 4 C UNL 1 3.335 1.707 -4.796 1.00 0.00 C HETATM 5 C UNL 1 1.491 -0.072 -0.320 1.00 0.00 C HETATM 6 O UNL 1 1.143 -0.736 -3.099 1.00 0.00 O HETATM 7 N UNL 1 3.543 2.428 -6.318 1.00 0.00 N HETATM 8 N UNL 1 2.557 3.392 -6.353 1.00 0.00 N HETATM 9 C UNL 1 1.878 3.175 -5.191 1.00 0.00 C HETATM 10 C UNL 1 2.910 2.875 -4.215 1.00 0.00 C HETATM 11 C UNL 1 0.640 2.272 -5.342 1.00 0.00 C HETATM 12 C UNL 1 5.041 2.612 -7.076 1.00 0.00 C HETATM 13 C UNL 1 0.053 0.583 -0.356 1.00 0.00 C HETATM 14 N UNL 1 -0.322 1.065 0.997 1.00 0.00 N HETATM 15 C UNL 1 0.407 0.210 1.902 1.00 0.00 C HETATM 16 C UNL 1 1.870 0.130 1.287 1.00 0.00 C HETATM 17 C UNL 1 2.489 -0.925 2.263 1.00 0.00 C HETATM 18 C UNL 1 2.420 -0.644 3.663 1.00 0.00 C HETATM 19 C UNL 1 2.217 -1.680 4.586 1.00 0.00 C HETATM 20 C UNL 1 2.213 -2.988 4.150 1.00 0.00 C HETATM 21 C UNL 1 2.612 -3.275 2.833 1.00 0.00 C HETATM 22 C UNL 1 2.729 -2.246 1.877 1.00 0.00 C HETATM 23 C UNL 1 -1.785 1.093 1.245 1.00 0.00 C HETATM 24 C UNL 1 -2.314 1.591 2.630 1.00 0.00 C HETATM 25 O UNL 1 -1.902 2.933 2.902 1.00 0.00 O HETATM 26 C UNL 1 -2.430 3.423 4.131 1.00 0.00 C HETATM 27 F UNL 1 2.830 -4.539 2.447 1.00 0.00 F HETATM 28 F UNL 1 1.801 -3.992 4.947 1.00 0.00 F HETATM 29 C UNL 1 3.469 3.306 -2.932 1.00 0.00 C HETATM 30 C UNL 1 0.463 1.360 -6.425 1.00 0.00 C HETATM 31 N UNL 1 -0.626 0.602 -6.312 1.00 0.00 N HETATM 32 N UNL 1 -1.164 0.999 -5.146 1.00 0.00 N HETATM 33 C UNL 1 -0.446 2.002 -4.527 1.00 0.00 C HETATM 34 C UNL 1 -2.387 0.362 -4.707 1.00 0.00 C HETATM 35 C UNL 1 4.678 7.379 -10.290 1.00 0.00 C HETATM 36 C UNL 1 4.769 6.187 -9.487 1.00 0.00 C HETATM 37 C UNL 1 5.264 5.370 -7.916 1.00 0.00 C HETATM 38 C UNL 1 5.725 4.178 -6.579 1.00 0.00 C HETATM 39 C UNL 1 5.805 2.599 -6.086 1.00 0.00 C HETATM 40 F UNL 1 7.062 2.135 -6.080 1.00 0.00 F HETATM 41 CL UNL 1 5.888 5.210 -5.068 1.00 0.00 Cl HETATM 42 H UNL 1 2.795 1.337 -1.435 1.00 0.00 H HETATM 43 H UNL 1 2.473 -0.199 -4.901 1.00 0.00 H HETATM 44 H UNL 1 1.378 -1.153 -0.472 1.00 0.00 H HETATM 45 H UNL 1 -0.662 -0.169 -0.709 1.00 0.00 H HETATM 46 H UNL 1 0.032 1.444 -1.025 1.00 0.00 H HETATM 47 H UNL 1 -0.050 -0.796 1.958 1.00 0.00 H HETATM 48 H UNL 1 0.381 0.618 2.924 1.00 0.00 H HETATM 49 H UNL 1 2.373 1.093 1.440 1.00 0.00 H HETATM 50 H UNL 1 2.378 0.363 4.050 1.00 0.00 H HETATM 51 H UNL 1 1.988 -1.477 5.643 1.00 0.00 H HETATM 52 H UNL 1 2.957 -2.501 0.853 1.00 0.00 H HETATM 53 H UNL 1 -2.218 0.095 1.086 1.00 0.00 H HETATM 54 H UNL 1 -2.220 1.762 0.495 1.00 0.00 H HETATM 55 H UNL 1 -1.992 0.930 3.443 1.00 0.00 H HETATM 56 H UNL 1 -3.413 1.571 2.604 1.00 0.00 H HETATM 57 H UNL 1 -2.044 4.434 4.295 1.00 0.00 H HETATM 58 H UNL 1 -2.116 2.795 4.971 1.00 0.00 H HETATM 59 H UNL 1 -3.524 3.476 4.094 1.00 0.00 H HETATM 60 H UNL 1 4.384 3.885 -3.091 1.00 0.00 H HETATM 61 H UNL 1 3.868 2.446 -2.376 1.00 0.00 H HETATM 62 H UNL 1 2.779 3.845 -2.290 1.00 0.00 H HETATM 63 H UNL 1 1.107 1.184 -7.277 1.00 0.00 H HETATM 64 H UNL 1 -0.771 2.407 -3.581 1.00 0.00 H HETATM 65 H UNL 1 -2.637 -0.455 -5.396 1.00 0.00 H HETATM 66 H UNL 1 -3.192 1.101 -4.718 1.00 0.00 H HETATM 67 H UNL 1 -2.243 -0.046 -3.704 1.00 0.00 H HETATM 68 H UNL 1 4.613 8.233 -10.866 1.00 0.00 H HETATM 69 H UNL 1 4.764 5.304 -10.174 1.00 0.00 H HETATM 70 H UNL 1 5.268 6.329 -7.306 1.00 0.00 H CONECT 1 2 5 42 CONECT 2 1 3 6 CONECT 3 2 4 43 CONECT 4 3 7 10 CONECT 5 1 13 16 44 CONECT 6 2 CONECT 7 4 8 12 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 4 29 CONECT 11 9 30 33 CONECT 12 7 35 39 CONECT 13 5 14 45 46 CONECT 14 13 15 23 CONECT 15 14 16 47 48 CONECT 16 15 5 17 49 CONECT 17 16 18 22 CONECT 18 17 19 50 CONECT 19 18 20 51 CONECT 20 19 21 28 CONECT 21 20 22 27 CONECT 22 21 17 52 CONECT 23 14 24 53 54 CONECT 24 23 25 55 56 CONECT 25 24 26 CONECT 26 25 57 58 59 CONECT 27 21 CONECT 28 20 CONECT 29 10 60 61 62 CONECT 30 11 31 63 CONECT 31 30 32 CONECT 32 31 33 34 CONECT 33 32 11 64 CONECT 34 32 65 66 67 CONECT 35 12 36 68 CONECT 36 35 37 69 CONECT 37 36 38 70 CONECT 38 37 39 41 CONECT 39 38 12 40 CONECT 40 39 CONECT 41 38 CONECT 42 1 CONECT 43 3 CONECT 44 5 CONECT 45 13 CONECT 46 13 CONECT 47 15 CONECT 48 15 CONECT 49 16 CONECT 50 18 CONECT 51 19 CONECT 52 22 CONECT 53 23 CONECT 54 23 CONECT 55 24 CONECT 56 24 CONECT 57 26 CONECT 58 26 CONECT 59 26 CONECT 60 29 CONECT 61 29 CONECT 62 29 CONECT 63 30 CONECT 64 33 CONECT 65 34 CONECT 66 34 CONECT 67 34 CONECT 68 35 CONECT 69 36 CONECT 70 37 MASTER 0 0 0 0 0 0 0 0 70 0 70 0 END M END $$$$